SCHEMBL12410248

SCHEMBL12410248

Cc1nccc2nc(-c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.60
AKT2 P31751 19/20 0.60
KCNH2 Q12809 5/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2356455 0.92 AKT1 (0.62) AKT1AKT2KCNH2
SCHEMBL1501777 0.90 AKT1 (0.58) AKT1AKT2KCNH2
SCHEMBL2281065 0.89 AKT1 (0.56) AKT1AKT2KCNH2
SCHEMBL5499246 0.87 AKT1 (0.75) AKT1AKT2KCNH2
SCHEMBL1057503 0.87 AKT1 (0.59) AKT1AKT2KCNH2
SCHEMBL1059047 0.86 KCNH2 (0.76) AKT1AKT2KCNH2
SCHEMBL2281488 0.86 AKT1 (0.78) AKT1AKT2KCNH2
Hydrochloric Acid SCHEMBL1501644 0.86 KCNH2 (0.75) AKT1AKT2KCNH2
SCHEMBL5497263 0.85 AKT1 (0.75) AKT1AKT2KCNH2
SCHEMBL12759242 0.85 KCNH2 (0.53) AKT1AKT2KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100222321-A1 Inhibitors of akt activtiy PIK3CA, PIK3CD, INPP5D AKT1 8/4885AKT2 4/4885KCNH2 3672/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.